L-ascorbic acid   Click here for help

GtoPdb Ligand ID: 4781

Synonyms: vitamin C
PDB Ligand
Comment: Used as a nutritional supplement to treat vitamin C deficiency (scurvy) and to help promote wound and bone healing.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 107.22
Molecular weight 176.03
XLogP -0.18
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OCC(C1OC(=O)C(=C1O)O)O
Isomeric SMILES OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O
InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel